4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide

C19H20N4O4 — CID 138679919

IUPAC4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide
SMILESNC(=O)c1cc2nccc(N3C[C@@H]4NC(=O)O[C@@H]4C3)c2cc1OC1CCC1
InChIInChI=1S/C19H20N4O4/c20-18(24)12-6-13-11(7-16(12)26-10-2-1-3-10)15(4-5-21-13)23-8-14-17(9-23)27-19(25)22-14/h4-7,10,14,17H,1-3,8-9H2,(H2,20,24)(H,22,25)/t14-,17+/m0/s1
InChIKeyFFPDWTBBPALXNA-WMLDXEAASA-N
MW368.39 g/mol
LogP1.56
Rot. Bonds4

About 4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide

4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide (PubChem CID 138679919) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide.

Molecular Properties

Compound Name4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide
PubChem CID138679919
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide
SMILESNC(=O)c1cc2nccc(N3C[C@@H]4NC(=O)O[C@@H]4C3)c2cc1OC1CCC1
InChIInChI=1S/C19H20N4O4/c20-18(24)12-6-13-11(7-16(12)26-10-2-1-3-10)15(4-5-21-13)23-8-14-17(9-23)27-19(25)22-14/h4-7,10,14,17H,1-3,8-9H2,(H2,20,24)(H,22,25)/t14-,17+/m0/s1
InChIKeyFFPDWTBBPALXNA-WMLDXEAASA-N
XLogP1.56
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide?
The IUPAC name of 4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide (CID 138679919) is 4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide.
What is the SMILES notation for 4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide?
The canonical SMILES for 4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide is NC(=O)c1cc2nccc(N3C[C@@H]4NC(=O)O[C@@H]4C3)c2cc1OC1CCC1.
What is the InChIKey of 4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide?
The InChIKey is FFPDWTBBPALXNA-WMLDXEAASA-N. The full InChI is InChI=1S/C19H20N4O4/c20-18(24)12-6-13-11(7-16(12)26-10-2-1-3-10)15(4-5-21-13)23-8-14-17(9-23)27-19(25)22-14/h4-7,10,14,17H,1-3,8-9H2,(H2,20,24)(H,22,25)/t14-,17+/m0/s1.
What are the key properties of 4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide?
4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide is sourced from PubChem (CID 138679919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).